#MD System 2.0 @Title neb0_image01 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.847875005331 0.306668952423 0.0634489023685} Si1 1 0.0 1 14 {} {0.84806775457 0.385056576073 0.444798199265} Si2 2 0.0 1 14 {} {0.0977252496529 0.306700583319 0.193192894812} Si3 3 0.0 1 14 {} {0.0979810430647 0.382970982479 0.318078052097} Si4 4 0.0 1 14 {} {0.853429813708 0.540694776471 0.434971803051} Si5 5 0.0 1 14 {} {0.103166063585 0.537192067491 0.308839834857} Si6 6 0.0 1 14 {} {0.849567219834 0.458150377343 0.0647290573222} Si7 7 0.0 1 14 {} {0.844303573423 0.228861278661 0.441981344605} Si8 8 0.0 1 14 {} {0.0991316731094 0.458254259785 0.193158355463} Si9 9 0.0 1 14 {} {0.0943384336908 0.228208421591 0.314209913716} Si10 10 0.0 1 8 {} {0.363099626804 0.593039627092 0.517953498585} O1 11 0.0 1 14 {} {0.345366582709 0.657031390416 0.521400739239} Si11 12 0.0 1 8 {} {0.111423258656 0.589568176492 0.213032253948} O2 13 0.0 1 1 {} {0.0116427540519 0.593025678113 0.152708431231} H1 14 0.0 1 8 {} {0.333506906379 0.177649791277 0.54156083389} O3 15 0.0 1 1 {} {0.932731358138 0.174518331485 0.601922693564} H2 16 0.0 1 8 {} {0.0832982002428 0.176554210331 0.216019806574} O4 17 0.0 1 1 {} {0.182302810173 0.173104920195 0.155828959252} H3 18 0.0 1 14 {} {0.847786627247 0.307322712534 0.5642644299} Si12 19 0.0 1 14 {} {0.84907226891 0.383068088781 0.939009251352} Si13 20 0.0 1 14 {} {0.0979284154825 0.30742003884 0.693078612987} Si14 21 0.0 1 14 {} {0.098965805394 0.385345280705 0.812088527801} Si15 22 0.0 1 14 {} {0.849856802536 0.536928908964 0.948653891772} Si16 23 0.0 1 14 {} {0.0987588027353 0.540777699678 0.822311669796} Si17 24 0.0 1 14 {} {0.849756265489 0.463904231942 0.563227202917} Si18 25 0.0 1 14 {} {0.844254295518 0.228115511784 0.942726895952} Si19 26 0.0 1 14 {} {0.0986701808865 0.464145584889 0.693232413063} Si20 27 0.0 1 14 {} {0.0942800918234 0.228870043482 0.814966134712} Si21 28 0.0 1 8 {} {0.360971329699 0.58859583107 0.0461179319857} O5 29 0.0 1 1 {} {0.261393344396 0.59316197228 0.106078606499} H4 30 0.0 1 8 {} {0.112311140466 0.596326964239 0.742361306927} O6 31 0.0 1 1 {} {0.0152717507496 0.621301090083 0.740701068431} H5 32 0.0 1 8 {} {0.333249508741 0.176438341087 0.041073506427} O7 33 0.0 1 1 {} {0.932405507624 0.173169838668 0.101343307473} H6 34 0.0 1 8 {} {0.083491284317 0.177861072001 0.714959285532} O8 35 0.0 1 1 {} {0.182838892912 0.174537698552 0.654861265226} H7 36 0.0 1 14 {} {0.347692988379 0.30662211981 0.063499973696} Si22 37 0.0 1 14 {} {0.348277437918 0.384983195619 0.444554521359} Si23 38 0.0 1 14 {} {0.597756991455 0.306571714059 0.193000169312} Si24 39 0.0 1 14 {} {0.598393887447 0.382824133804 0.317762155408} Si25 40 0.0 1 14 {} {0.355531247763 0.538936054478 0.43291179973} Si26 41 0.0 1 14 {} {0.605447058669 0.536893055847 0.307179820252} Si27 42 0.0 1 14 {} {0.348662609841 0.457890302611 0.0656253109651} Si28 43 0.0 1 14 {} {0.344459215933 0.228792072136 0.441945359667} Si29 44 0.0 1 14 {} {0.599812226328 0.45798768451 0.192293476998} Si30 45 0.0 1 14 {} {0.594389481673 0.228111375331 0.314041743276} Si31 46 0.0 1 8 {} {0.842868670912 0.595677657406 0.51754055672} O9 47 0.0 1 1 {} {0.939850464056 0.620890518892 0.517994771656} H8 48 0.0 1 8 {} {0.6135653723 0.588890687348 0.210713193031} O10 49 0.0 1 1 {} {0.512397026143 0.592848143041 0.151598770863} H9 50 0.0 1 8 {} {0.833428506765 0.177777023507 0.54174782277} O11 51 0.0 1 1 {} {0.43273633374 0.174380073777 0.60177443388} H10 52 0.0 1 8 {} {0.583445689553 0.176426060076 0.215941619384} O12 53 0.0 1 1 {} {0.682391942888 0.173030809045 0.155688366353} H11 54 0.0 1 14 {} {0.348017212585 0.307272720322 0.564209178093} Si32 55 0.0 1 14 {} {0.348487456511 0.383031860971 0.939262561636} Si33 56 0.0 1 14 {} {0.597891940913 0.307423094449 0.693304970406} Si34 57 0.0 1 14 {} {0.598731473079 0.385221059605 0.812619451109} Si35 58 0.0 1 14 {} {0.347241087273 0.536524792901 0.950193288179} Si36 59 0.0 1 14 {} {0.59677296231 0.538806883359 0.824773727605} Si37 60 0.0 1 14 {} {0.349018538874 0.46346326117 0.5639608049} Si38 61 0.0 1 14 {} {0.344122796786 0.22806378213 0.942816315126} Si39 62 0.0 1 14 {} {0.59951267909 0.463580608548 0.692599288982} Si40 63 0.0 1 14 {} {0.594190890698 0.228866407872 0.815086978171} Si41 64 0.0 1 8 {} {0.861778009494 0.5892469401 0.0443684051017} O13 65 0.0 1 1 {} {0.761913432202 0.593255278578 0.104719362705} H12 66 0.0 1 8 {} {0.591937882864 0.59373996816 0.742945351899} O14 67 0.0 1 14 {} {0.603664550459 0.657794410257 0.740999795387} Si42 68 0.0 1 8 {} {0.833478918138 0.176512368012 0.0410396378601} O15 69 0.0 1 1 {} {0.432272690713 0.173032320068 0.101267016686} H13 70 0.0 1 8 {} {0.583426566401 0.177880509861 0.715035204016} O16 71 0.0 1 1 {} {0.682788323717 0.174606328235 0.654919647597} H14 72 0.0 1 7 {} {0.468315522305 0.683873731588 0.634429188342} N 73 0.0 1 1 {} {0.457946564219 0.724803319697 0.64014245857} H16 74 0.0 1 9 {} {0.807471559514 0.672240488047 0.721566055805} F4 75 0.0 1 9 {} {0.390756815611 0.680304967229 0.387794839959} F5 76 0.0 1 9 {} {0.56227216603 0.681148405981 0.874802763129} F3 77 0.0 1 9 {} {0.140271155867 0.670603798743 0.536533951083} F1 78 0.0 1 9 {} {0.42354763584 0.793518952633 0.666165577657} F2 79 0.0 1 9 {} {0.578887071406 0.795544064656 0.563990748753} F6 80 0.0 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 45 38 0 0 21 19 0 0 58 42 0 0 3 1 0 0 73 72 0 0 27 20 0 0 22 6 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 0 77 11 0 0 61 36 0 0 2 0 0 0 38 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 79 78 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 0 36 2 0 0 63 56 0 0 44 41 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 70 63 {0 0 0} 0 1 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 42 58 {0 0 -1} 0 4 3 1 {-1 0 0} 0 5 72 73 {0 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 2 {1 0 0} 0 22 0 38 {0 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {0 0 0} 0 67 78 79 {0 0 0} 0 68 63 61 {0 0 0} 0 69 55 42 {0 0 1} 0 70 38 36 {0 0 0} 0 71 30 31 {0 0 0} 0 72 26 24 {-1 0 0} 0 73 64 65 {0 0 0} 0 74 9 43 {0 0 0} 0 75 76 67 {0 0 0} 0 76 1 18 {0 0 0} 0 77 8 3 {0 0 0} 0 78 7 9 {1 0 0} 0 79 55 21 {0 0 0} 0 80 19 6 {0 0 1} 0 81 44 42 {0 0 0} 0 82 36 2 {0 0 0} 0 83 56 63 {0 0 0} 0 84 41 44 {0 0 0} 0 85 70 71 {0 0 0} 0 86 16 9 {0 0 0} 0 87 2 9 {0 0 0} 0 88 69 32 {0 0 0} 0 89 39 37 {0 0 0} 0 90 22 64 {0 0 1} 0 91 27 34 {0 0 0} 0 92 20 18 {-1 0 0} 0 93 55 36 {0 0 1} 0 94 43 14 {0 0 0} 0 95 46 4 {0 0 0} 0 96 23 30 {0 0 0} 0 97 60 37 {0 0 0} 0 98 12 5 {0 0 0} 0 99 67 74 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end